%chk=000004391.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004391

0 1
 S  -0.3295000     -0.1436000       1.346500    
 O  -0.7061000      -1.439800       1.879800    
 O  -0.1550000      0.9772000       2.251900    
 O   -3.218300       2.479100      4.8000002E-03
 O   -3.797100      -2.307200      -1.037800    
 N   -1.422700      0.2990000      8.8399999E-02
 N    4.120600       1.649800     -0.5320000    
 C   -1.125500       1.530100     -0.6872000    
 C   -1.961900     -0.7837000     -0.7733000    
 C    1.197200     -0.3572000      0.4747000    
 C   -2.424200       2.175500      -1.135100    
 C   -3.266600      -1.295700     -0.1908000    
 C    2.042100      0.7262000      0.3219000    
 C    1.510900      -1.603400     -3.5300002E-02
 C    3.243900      0.5575000     -0.3657000    
 C    2.712800      -1.772100     -0.7228000    
 C    3.579300     -0.6917000     -0.8879000    
 H  -0.4899000       1.298800      -1.548400    
 H  -0.5922000       2.241200     -4.7200002E-02
 H   -1.246700      -1.608600     -0.8552000    
 H   -2.110600     -0.4589000      -1.808900    
 H   -3.015000       1.536700      -1.796400    
 H   -2.222000       3.108500      -1.671100    
 H   -4.007500     -0.4942000     -0.1025000    
 H   -3.124600      -1.728600      0.8032000    
 H    1.787200       1.702900      0.7232000    
 H   0.8511000      -2.457200      8.2000002E-02
 H    2.974000      -2.744700      -1.129500    
 H    4.512900     -0.8359000      -1.425500    
 H   -2.702200       3.076600      0.5723000    
 H   -3.959600      -1.905500      -1.908300    
 H    4.991300       1.528300      -1.031900    
 H    3.877300       2.556300     -0.1555000    


%chk=000004391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004391

0 1
S -0.436037 -0.723704 0.742340
O -0.701918 -2.285279 1.097835
O -0.806354 0.400081 1.896552
O -0.898124 2.630852 0.361560
O -4.988984 -1.569703 -0.375050
N -1.348713 -0.433260 -0.853490
N 3.839526 2.221296 -0.152842
C -1.235837 0.917837 -1.457087
C -2.604162 -1.214934 -0.944718
C 1.366518 -0.499548 0.221854
C -1.780436 2.166081 -0.704258
C -3.878085 -0.610342 -0.300062
C 1.893328 0.797032 0.226859
C 2.075418 -1.666889 -0.101542
C 3.265268 0.955149 -0.134587
C 3.435102 -1.487117 -0.453340
C 4.022833 -0.207044 -0.474330
H -1.762471 0.827734 -2.429308
H -0.169208 1.103692 -1.685669
H -2.418242 -2.200089 -0.478512
H -2.773181 -1.390940 -2.028227
H -2.806514 1.985580 -0.324338
H -1.821216 2.997443 -1.431145
H -4.158853 0.352408 -0.776505
H -3.721863 -0.444322 0.778412
H 1.272789 1.662515 0.488452
H 1.600434 -2.650175 -0.057128
H 4.042396 -2.361400 -0.710443
H 5.079171 -0.099676 -0.748207
H -0.936182 1.963747 1.119193
H -5.238990 -1.710426 -1.323502
H 4.818392 2.347432 -0.393073
H 3.297596 3.041668 0.104705


